CID 3039344

(+-)-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5,10-imine-12-ethanamine

Structural Information

Molecular Formula
C17H18N2
SMILES
C1C2C3=CC=CC=C3C(N2CCN)C4=CC=CC=C41
InChI
InChI=1S/C17H18N2/c18-9-10-19-16-11-12-5-1-2-6-13(12)17(19)15-8-4-3-7-14(15)16/h1-8,16-17H,9-11,18H2
InChIKey
CGRLUHZALUDPSY-UHFFFAOYSA-N
Compound name
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 156.0
[M+Na]+ 273.136218 164.2
[M-H]- 249.139724 158.9
[M+NH4]+ 268.180823 177.1
[M+K]+ 289.110158 157.9
[M+H-H2O]+ 233.144260 148.7
[M+HCOO]- 295.145201 174.1
[M+CH3COO]- 309.160851 167.5
[M+Na-2H]- 271.121666 162.5
[M]+ 250.14645142 154.8
[M]- 250.14754858 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.